Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C46H76O17/c1-21-30(50)32(52)34(54)39(60-21)63-36-35(62-38-33(53)31(51)25(48)18-58-38)26(49)19-59-40(36)61-29-13-16-45(20-47)27(41(29,2)3)12-15-44(7)28(45)9-8-22-23(10-14-43(22,44)6)46(57)17-11-24(37(46)55)42(4,5)56/h20-40,48-57H,8-19H2,1-7H3/t21-,22+,23-,24?,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37?,38-,39-,40-,43+,44+,45+,46-/m0/s1

InChIKey: InChIKey=CYRMGUDEBKRPDI-KFLGRUMNSA-N

Formula: C46H76O17

Molecular Weight: 901.087232

Exact Mass: 900.508251

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yin, F., Zhang, Y.N., Yang, Z.Y., Hu, L.H. Chem Biodivers (2006) 3, 771-82

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 33.9
2 (CH2) 27.9
3 (CH) 87.4
4 (C) 40.7
5 (CH) 55.1
6 (CH2) 17.9
7 (CH2) 35
8 (C) 40.3
9 (CH) 53.3
10 (C) 53.1
11 (CH2) 22.8
12 (CH2) 25.9
13 (CH) 43.9
14 (C) 50.3
15 (CH2) 32.4
16 (CH2) 27.8
17 (CH) 47.8
18 (CH3) 17.4
19 (CH) 205.8
20 (C) 83.3
21 (CH) 78.1
22 (CH2) 32.4
23 (CH2) 22.6
24 (CH) 54.8
25 (C) 71.9
26 (CH3) 30.1
27 (CH3) 27.7
28 (CH3) 26.7
29 (CH3) 16.8
30 (CH3) 16.3
1' (CH) 104.8
2' (CH) 74.8
3' (CH) 81.6
4' (CH) 68.4
5' (CH2) 65
1'' (CH) 102.1
2'' (CH) 72.6
3'' (CH) 72.5
4'' (CH) 74
5'' (CH) 70.2
6'' (CH3) 18.7
1''' (CH) 105.2
2''' (CH) 74.5
3''' (CH) 77.7
4''' (CH) 71
5''' (CH2) 67